REMARK  Name = BDB039522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.429  -1.969  -1.086  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.040  -1.529  -1.359  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.960  -2.676  -1.087  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.905  -3.227   0.276  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.322  -2.848   0.996  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.567  -2.883   0.078  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.092   1.212  -1.547  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -3.711   0.513  -2.644  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -2.873  -0.542  -2.462  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -2.527  -1.306  -3.711  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -2.349  -0.916  -1.207  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -2.773  -0.163  -0.104  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -3.671   0.893  -0.267  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -4.356   2.832  -4.136  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -5.086   3.070  -2.914  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -5.819   3.768  -2.927  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -5.022   2.373  -1.724  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -5.734   2.736  -0.785  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        2.139  -3.135   1.052  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.504  -1.772   1.607  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        3.155  -0.812   0.816  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        3.512   0.424   1.361  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1        4.163   1.376   0.539  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1        4.356   1.172  -0.430  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        4.564   2.628   0.980  0.00  0.00    +0.292 A 
ATOM     26  C   LIG    1        4.266   2.869   2.370  0.00  0.00    +0.199 A 
ATOM     27  C   LIG    1        3.637   1.999   3.233  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        3.557   2.660   4.478  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1        4.145   3.894   4.285  0.00  0.00    +0.196 A 
ATOM     30  O   LIG    1        4.576   4.032   3.002  0.00  0.00    -0.457 OA
ATOM     31  O   LIG    1        5.110   3.417   0.213  0.00  0.00    -0.264 OA
ATOM     32  C   LIG    1        3.229   0.712   2.716  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1        2.581  -0.234   3.506  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1        2.222  -1.467   2.952  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4